Molecule

ID:39906

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀FNO
Molecular Mass
227.2337032
Exact Mass
227.07464217
Charge
0
InChI
InChI=1S/C14H10FNO/c1-17-13-5-2-10(3-6-13)11-4-7-14(15)12(8-11)9-16/h2-8H,1H3
InChIKey
QLFLKGAHOYLYBV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(c(c1)C#N)F
Isomeric Smiles
c1c(ccc(c1)c1cc(c(cc1)F)C#N)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.461598
LogD (pH = 7.4)
3.461598
Log P
3.461598
Molar Refractivity
63.5954
Polarizability
25.271149
Polar Surface Area
33.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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